SCHEMBL26085643

SCHEMBL26085643

CC(C)C(O)Cc1cnccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSMB5 P28074 5/20 0.35
NLRP3 Q96P20 3/20 0.35
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DAO P14920 1/20 0.34
PSMB1 P20618 3/20 0.33
PSMB2 P49721 3/20 0.33
IDO1 P14902 1/20 0.33
POLB P06746 1/20 0.33
LONP1 P36776 3/20 0.33
PSMB11 A5LHX3 2/20 0.33
PSMA7 O14818 2/20 0.33
PSMA1 P25786 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9474835 0.84 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3
SCHEMBL30638522 0.84 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3
SCHEMBL6966444 0.81 POLB (0.37) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3
SCHEMBL5706459 0.81 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3
SCHEMBL6965886 0.81 POLB (0.37) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3
SCHEMBL8105929 0.81 POLB (0.37) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3
SCHEMBL18462726 0.80 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3
SCHEMBL20061662 0.80 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3
SCHEMBL29364563 0.79 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3
SCHEMBL510583 0.79 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2PSMB5NLRP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KDM4E 2079/4885ALDH1A1 1991/4885SMN1; SMN2 1771/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.